SCHEMBL7323665

SCHEMBL7323665

Nc1ccc(-n2nc(C(F)(F)F)cc2Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.53
PTGS1 P23219 10/20 0.53
CYP2C9 P11712 1/20 0.41
PDPK1 O15530 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28197895 0.83 PTGS1 (0.63) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL3277337 0.81 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL14887387 0.80 PTGS2 (0.57) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL7242014 0.80 PTGS2 (0.53) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL31625278 0.80 PDPK1 (0.53) PTGS2PTGS1PDPK1
Hydrochloric Acid SCHEMBL31566300 0.79 PTGS2 (0.56) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL2697716 0.78 PTGS2 (0.71) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL1880301 0.78 PTGS2 (0.51) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL1887981 0.78 PTGS2 (0.51) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL3283975 0.78 PTGS2 (0.54) PTGS2PTGS1CYP2C9PDPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 PTGS2 158/4885PTGS1 197/4885CYP2C9 292/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.